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. Author manuscript; available in PMC: 2018 Mar 30.
Published in final edited form as: J Phys Chem B. 2017 Aug 22;121(34):8149–8154. doi: 10.1021/acs.jpcb.7b07232

Figure 2.

Figure 2

Metadynamics potential of mean force profiles for small molecules diffusing through the PduA hexamer pore represented as (A) 2-dimensional heatmaps for propanediol (left) and propionaldehyde (right), and as (B) 1-dimensional line plots through the center of the pore for propanediol (blue) and propionaldehyde (red).